N-(1,3-benzothiazol-2-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-4-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]butyramide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)NCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-35-21-13-11-20(12-14-21)24-17-23(19-7-3-2-4-8-19)31-32(24)28(34)16-15-26(33)29-18-27-30-22-9-5-6-10-25(22)36-27/h2-14,24H,15-18H2,1H3,(H,29,33)/t24-/m1/s1